[3-(furan-3-yl)phenyl]methylcarbamic acid

C12H11NO3 — CID 86653352

IUPAC[3-(furan-3-yl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(-c2ccoc2)c1
InChIInChI=1S/C12H11NO3/c14-12(15)13-7-9-2-1-3-10(6-9)11-4-5-16-8-11/h1-6,8,13H,7H2,(H,14,15)
InChIKeyORZBQKOZDFMKHL-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.71
Rot. Bonds3

About [3-(furan-3-yl)phenyl]methylcarbamic acid

[3-(furan-3-yl)phenyl]methylcarbamic acid (PubChem CID 86653352) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is [3-(furan-3-yl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(furan-3-yl)phenyl]methylcarbamic acid
PubChem CID86653352
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name[3-(furan-3-yl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1cccc(-c2ccoc2)c1
InChIInChI=1S/C12H11NO3/c14-12(15)13-7-9-2-1-3-10(6-9)11-4-5-16-8-11/h1-6,8,13H,7H2,(H,14,15)
InChIKeyORZBQKOZDFMKHL-UHFFFAOYSA-N
XLogP2.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(5-amino-1-benzofuran-7-yl)phenyl]methylcarbamic acid
CID 139560642
3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235
(3-carbonochloridoylphenyl)methylcarbamic acid
CID 174223419
5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid
CID 66680638
[3-(4,5-diamino-3-pyridinyl)phenyl]methylcarbamic acid
CID 155070178
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
(3-methylsulfanylphenyl)methylcarbamic acid
CID 69246192
[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid
CID 174224767
3-(furan-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798902
2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
CID 138678237
[3-[3-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]phenyl]methylcarbamic acid
CID 69496628
3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103306

Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-yl)phenyl]methylcarbamic acid?
The IUPAC name of [3-(furan-3-yl)phenyl]methylcarbamic acid (CID 86653352) is [3-(furan-3-yl)phenyl]methylcarbamic acid.
What is the SMILES notation for [3-(furan-3-yl)phenyl]methylcarbamic acid?
The canonical SMILES for [3-(furan-3-yl)phenyl]methylcarbamic acid is O=C(O)NCc1cccc(-c2ccoc2)c1.
What is the InChIKey of [3-(furan-3-yl)phenyl]methylcarbamic acid?
The InChIKey is ORZBQKOZDFMKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-12(15)13-7-9-2-1-3-10(6-9)11-4-5-16-8-11/h1-6,8,13H,7H2,(H,14,15).
What are the key properties of [3-(furan-3-yl)phenyl]methylcarbamic acid?
[3-(furan-3-yl)phenyl]methylcarbamic acid has a molecular weight of 217.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-3-yl)phenyl]methylcarbamic acid is sourced from PubChem (CID 86653352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).